19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene

C53H64N2O — CID 134490808

IUPAC19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
SMILESCC(C)(c1ccc(-n2c3ccccc3c3c2oc2c4ccccc4n(-c4ccc(C5CCCCCCCCCC5)cc4)c23)cc1)C1CCCCCCCCCC1
InChIInChI=1S/C53H64N2O/c1-53(2,41-25-17-13-9-5-6-10-14-18-26-41)42-33-37-44(38-34-42)55-47-29-21-19-27-45(47)49-50-51(56-52(49)55)46-28-20-22-30-48(46)54(50)43-35-31-40(32-36-43)39-23-15-11-7-3-4-8-12-16-24-39/h19-22,27-39,41H,3-18,23-26H2,1-2H3
InChIKeyGDNYBIBCNPDMKT-UHFFFAOYSA-N
MW745.11 g/mol
LogP16.28
Rot. Bonds5

About 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene

19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene (PubChem CID 134490808) has the molecular formula C53H64N2O and a molecular weight of 745.11 g/mol. Its IUPAC name is 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene.

Molecular Properties

Compound Name19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
PubChem CID134490808
Molecular FormulaC53H64N2O
Molecular Weight745.11 g/mol
Exact Mass744.50
IUPAC Name19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene
SMILESCC(C)(c1ccc(-n2c3ccccc3c3c2oc2c4ccccc4n(-c4ccc(C5CCCCCCCCCC5)cc4)c23)cc1)C1CCCCCCCCCC1
InChIInChI=1S/C53H64N2O/c1-53(2,41-25-17-13-9-5-6-10-14-18-26-41)42-33-37-44(38-34-42)55-47-29-21-19-27-45(47)49-50-51(56-52(49)55)46-28-20-22-30-48(46)54(50)43-35-31-40(32-36-43)39-23-15-11-7-3-4-8-12-16-24-39/h19-22,27-39,41H,3-18,23-26H2,1-2H3
InChIKeyGDNYBIBCNPDMKT-UHFFFAOYSA-N
XLogP16.28
TPSA23.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.11
LogP ≤ 516.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene with MolForge

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Related Compounds

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CID 134490913
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CID 159682927
3-carbazol-9-yl-N,N-bis(4-cyclohexylphenyl)aniline
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CID 176726705
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9-(3-cyclopentylphenyl)-14-phenyl-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
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Frequently Asked Questions

What is the IUPAC name of 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The IUPAC name of 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene (CID 134490808) is 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene.
What is the SMILES notation for 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The canonical SMILES for 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene is CC(C)(c1ccc(-n2c3ccccc3c3c2oc2c4ccccc4n(-c4ccc(C5CCCCCCCCCC5)cc4)c23)cc1)C1CCCCCCCCCC1.
What is the InChIKey of 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
The InChIKey is GDNYBIBCNPDMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H64N2O/c1-53(2,41-25-17-13-9-5-6-10-14-18-26-41)42-33-37-44(38-34-42)55-47-29-21-19-27-45(47)49-50-51(56-52(49)55)46-28-20-22-30-48(46)54(50)43-35-31-40(32-36-43)39-23-15-11-7-3-4-8-12-16-24-39/h19-22,27-39,41H,3-18,23-26H2,1-2H3.
What are the key properties of 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene?
19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene has a molecular weight of 745.11 g/mol, XLogP of 16.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 19-(4-cycloundecylphenyl)-9-[4-(2-cycloundecylpropan-2-yl)phenyl]-11-oxa-9,19-diazapentacyclo[10.7.0.02,10.03,8.013,18]nonadeca-1(12),2(10),3,5,7,13,15,17-octaene is sourced from PubChem (CID 134490808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).